7XSH

Crystal structure of ClAgl29B bound with L-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	72.393, 121.583, 166.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.598 - 1.708
Rwork	0.179
R-free	0.20160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Apo form
RMSD bond length	0.007
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0349)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.164	1.810
High resolution limit [Å]	1.708	1.710
Rmeas	0.101	0.942
Number of reflections	159024	25291
<I/σ(I)>	17.44	2.37
Completeness [%]	99.8	99.1
Redundancy	6.7	6.2
CC(1/2)	0.999	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	0.1 M sodium citrate (pH 3.5), 5% PEG 20,000, 5% 2-propanol